| SpectraBase Spectrum ID |
4dK6wrz8CKM |
| Name |
Glutaric acid, hex-4-yn-3-yl 2,2,3,3,3-pentafluoropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.104699838 u |
| Formula |
C14H17F5O4 |
| InChI |
InChI=1S/C14H17F5O4/c1-3-6-10(4-2)23-12(21)8-5-7-11(20)22-9-13(15,16)14(17,18)19/h10H,4-5,7-9H2,1-2H3 |
| InChIKey |
YSQMZFOHFCXFCP-UHFFFAOYSA-N |
| Molecular Weight |
344.278 g/mol |
| SMILES |
C(CCC(OC(CC)C#CC)=O)C(OCC(C(F)(F)F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938779 |
